3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide

C12H8ClFN4O3 — CID 107060656

IUPAC3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2c(F)cccc2[N+](=O)[O-])c1Cl
InChIInChI=1S/C12H8ClFN4O3/c13-9-6(11(15)16)4-5-17-12(9)21-10-7(14)2-1-3-8(10)18(19)20/h1-5H,(H3,15,16)
InChIKeyVHFPWPTVOKBTJO-UHFFFAOYSA-N
MW310.67 g/mol
LogP2.86
Rot. Bonds4

About 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide

3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide (PubChem CID 107060656) has the molecular formula C12H8ClFN4O3 and a molecular weight of 310.67 g/mol. Its IUPAC name is 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
PubChem CID107060656
Molecular FormulaC12H8ClFN4O3
Molecular Weight310.67 g/mol
Exact Mass310.03
IUPAC Name3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2c(F)cccc2[N+](=O)[O-])c1Cl
InChIInChI=1S/C12H8ClFN4O3/c13-9-6(11(15)16)4-5-17-12(9)21-10-7(14)2-1-3-8(10)18(19)20/h1-5H,(H3,15,16)
InChIKeyVHFPWPTVOKBTJO-UHFFFAOYSA-N
XLogP2.86
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.67
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571
3-chloro-2-(2-chloro-6-nitrophenoxy)pyridine-4-carboxylic acid
CID 107718864
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
CID 107060457
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
3-(2-fluoro-6-nitrophenoxy)pyridazine-4-carboxylic acid
CID 104832433
3-(2-fluoro-6-nitrophenoxy)pyrazine-2-carboxylic acid
CID 104832435
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
CID 63599016
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107717023

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide (CID 107060656) is 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2c(F)cccc2[N+](=O)[O-])c1Cl.
What is the InChIKey of 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide?
The InChIKey is VHFPWPTVOKBTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4O3/c13-9-6(11(15)16)4-5-17-12(9)21-10-7(14)2-1-3-8(10)18(19)20/h1-5H,(H3,15,16).
What are the key properties of 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide?
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide has a molecular weight of 310.67 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 107060656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).